SCHEMBL19002935

SCHEMBL19002935

O=[N+]([O-])CC(c1ccccc1)c1ccc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.58
CNR2 P34972 1/20 0.47
NPC1 O15118 2/20 0.44
ADAM17 P78536 1/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27715904 1.00 CNR1 (0.58) CNR1CNR2NPC1ADAM17MEN1
SCHEMBL27736566 0.88 MEN1 (0.55) CNR1CNR2MEN1POLBKMT2A
SCHEMBL27736569 0.88 CNR1 (0.50) CNR1CNR2NPC1MEN1POLB
SCHEMBL27736617 0.88 CNR1 (0.50) CNR1CNR2MEN1POLBKMT2A
SCHEMBL27736567 0.88 MEN1 (0.55) CNR1CNR2MEN1POLBKMT2A
SCHEMBL27736571 0.88 CNR1 (0.50) CNR1CNR2NPC1MEN1POLB
SCHEMBL27736616 0.88 CNR1 (0.50) CNR1CNR2MEN1POLBKMT2A
SCHEMBL27736575 0.85 CNR1 (0.48) CNR1CNR2MEN1POLBKMT2A
SCHEMBL27736574 0.85 CNR1 (0.48) CNR1CNR2MEN1POLBKMT2A
SCHEMBL27715773 0.84 CNR1 (0.47) CNR1MEN1KMT2AALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108821995-B Chiral Schiff base ligand, metal compound, and preparation method and application thereof 中国科学技术大学 2020-05-12 CN claimed
CN-108821995-B Chiral Schiff base ligand, metal compound, and preparation method and application thereof 中国科学技术大学 2020-05-12 CN disclosed
US-10377711-B2 Cannabinoid type 1 receptor modulators THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2019-08-13 US disclosed
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 US disclosed
US-9688858-B1 Bacteriochlorin-based organic dye NATIONAL CHI NAN UNIVERSITY (TW) 2017-06-27 US disclosed
US-9688858-B1 Bacteriochlorin-based organic dye NATIONAL CHI NAN UNIVERSITY (TW) 2017-06-27 US disclosed
CN-101239939-A Chirality five-membered heterocyclic compound and high enantioselectivity preparation method thereof UNIV BEIJING (CN) 2008-08-13 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885NPC1 576/4885
US-10377711-B2 Cannabinoid type 1 receptor modulators CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885NPC1 576/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.